3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide

C15H12BrF2NO — CID 103706641

IUPAC3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
SMILESCCN(C(=O)c1ccc(F)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12BrF2NO/c1-2-19(12-6-4-11(17)5-7-12)15(20)10-3-8-14(18)13(16)9-10/h3-9H,2H2,1H3
InChIKeyKZVVKQMQHXBIKF-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.39
Rot. Bonds3

About 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide

3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide (PubChem CID 103706641) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
PubChem CID103706641
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
SMILESCCN(C(=O)c1ccc(F)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12BrF2NO/c1-2-19(12-6-4-11(17)5-7-12)15(20)10-3-8-14(18)13(16)9-10/h3-9H,2H2,1H3
InChIKeyKZVVKQMQHXBIKF-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 60667423
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
N-ethyl-N-(4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63859639
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide (CID 103706641) is 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide is CCN(C(=O)c1ccc(F)c(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide?
The InChIKey is KZVVKQMQHXBIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-2-19(12-6-4-11(17)5-7-12)15(20)10-3-8-14(18)13(16)9-10/h3-9H,2H2,1H3.
What are the key properties of 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide?
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide has a molecular weight of 340.17 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 103706641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).